Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'C-C chemokine receptor type 5' and Ligand = 'BDBM50319447'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
C-C chemokine receptor type 5 (Homo sapiens (Human))	BDBM50319447 ((R)-4,6-dimethyl-5-(4'-methyl-4-(2-oxo-5-phenyl-3-...) Show SMILES Cc1cc(nc(C)c1C(=O)N1CCC(C)(CC1)N1CCC(CC1)N1[C@@H](CN(CC2CCOCC2)C1=O)c1ccccc1)C#N |r| Show InChI InChI=1S/C35H46N6O3/c1-25-21-29(22-36)37-26(2)32(25)33(42)38-17-13-35(3,14-18-38)40-15-9-30(10-16-40)41-31(28-7-5-4-6-8-28)24-39(34(41)43)23-27-11-19-44-20-12-27/h4-8,21,27,30-31H,9-20,23-24H2,1-3H3/t31-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Binding affinity at CCR5 receptor by radiolabelled RANTES binding assay				Bioorg Med Chem Lett 20: 3219-22 (2010) Article DOI: 10.1016/j.bmcl.2010.04.077 BindingDB Entry DOI: 10.7270/Q2FT8M63
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